SCHEMBL5241817

SCHEMBL5241817

CC(C)COC(=O)Nc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.59
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MDM2 Q00987 1/20 0.48
NAMPT P43490 1/20 0.48
TSHR P16473 3/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPKAPK2 P49137 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8602983 0.83 LMNA (0.74) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL963949 0.81 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1NAMPTTSHR
SCHEMBL30352411 0.81 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1NAMPTTSHR
SCHEMBL2322638 0.81 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL10192028 0.81 SMN1; SMN2 (0.61) POLBSMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL3836378 0.81 BCHE (0.64) BCHEPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL13995026 0.80 SMN1; SMN2 (0.66) BCHESMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL22550549 0.80 SMN1; SMN2 (0.60) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3042748 0.80 SMN1; SMN2 (0.60) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL6810771 0.80 SMN1; SMN2 (0.60) POLBSMN1; SMN2LMNAALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773847-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006010040-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-01-26 WO disclosed